CID 203113

Methylphenylarsinic acid

Structural Information

Molecular Formula
C7H9AsO2
SMILES
C[As](=O)(C1=CC=CC=C1)O
InChI
InChI=1S/C7H9AsO2/c1-8(9,10)7-5-3-2-4-6-7/h2-6H,1H3,(H,9,10)
InChIKey
MROUTHHOGFJANY-UHFFFAOYSA-N
Compound name
methyl(phenyl)arsinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

199.98184 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.98912 136.8
[M+Na]+ 222.97106 144.6
[M-H]- 198.97456 139.1
[M+NH4]+ 218.01566 157.4
[M+K]+ 238.94500 142.5
[M+H-H2O]+ 182.97910 131.6
[M+HCOO]- 244.98004 158.7
[M+CH3COO]- 258.99569 171.3
[M+Na-2H]- 220.95651 144.6
[M]+ 199.98129 136.3
[M]- 199.98239 136.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe